(12Z)-1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,5,7,10,12-pentaene

C12H12N2 — CID 68922580

IUPAC(12Z)-1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,5,7,10,12-pentaene
SMILESC1=CC2C=CN3/C=C\N=C/CC(=C1)C23
InChIInChI=1S/C12H12N2/c1-2-10-4-6-13-7-9-14-8-5-11(3-1)12(10)14/h1-3,5-9,11-12H,4H2/b9-7-,13-6-
InChIKeyOFVUSVQALUNTEW-UXKBSUKYSA-N
MW184.24 g/mol
LogP2.24
Rot. Bonds

About (12Z)-1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,5,7,10,12-pentaene

(12Z)-1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,5,7,10,12-pentaene (PubChem CID 68922580) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (12Z)-1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,5,7,10,12-pentaene.

Molecular Properties

Compound Name(12Z)-1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,5,7,10,12-pentaene
PubChem CID68922580
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name(12Z)-1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,5,7,10,12-pentaene
SMILESC1=CC2C=CN3/C=C\N=C/CC(=C1)C23
InChIInChI=1S/C12H12N2/c1-2-10-4-6-13-7-9-14-8-5-11(3-1)12(10)14/h1-3,5-9,11-12H,4H2/b9-7-,13-6-
InChIKeyOFVUSVQALUNTEW-UXKBSUKYSA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (12Z)-1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,5,7,10,12-pentaene?
The IUPAC name of (12Z)-1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,5,7,10,12-pentaene (CID 68922580) is (12Z)-1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,5,7,10,12-pentaene.
What is the SMILES notation for (12Z)-1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,5,7,10,12-pentaene?
The canonical SMILES for (12Z)-1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,5,7,10,12-pentaene is C1=CC2C=CN3/C=C\N=C/CC(=C1)C23.
What is the InChIKey of (12Z)-1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,5,7,10,12-pentaene?
The InChIKey is OFVUSVQALUNTEW-UXKBSUKYSA-N. The full InChI is InChI=1S/C12H12N2/c1-2-10-4-6-13-7-9-14-8-5-11(3-1)12(10)14/h1-3,5-9,11-12H,4H2/b9-7-,13-6-.
What are the key properties of (12Z)-1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,5,7,10,12-pentaene?
(12Z)-1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,5,7,10,12-pentaene has a molecular weight of 184.24 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (12Z)-1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,5,7,10,12-pentaene is sourced from PubChem (CID 68922580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).